ChemSpider 2D Image | (2R)-2-[(9Z)-9-Hexadecenoyloxy]-3-(palmitoyloxy)propyl phosphate | C35H65O8P

(2R)-2-[(9Z)-9-Hexadecenoyloxy]-3-(palmitoyloxy)propyl phosphate

  • Molecular FormulaC35H65O8P
  • Average mass644.861 Da
  • Monoisotopic mass644.442810 Da
  • ChemSpider ID29368134

  • Charge - Charge

    Double-bond stereo - Double-bond stereo

    defined stereocentres - 1 of 1 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(2R)-2-[(9Z)-9-Hexadecenoyloxy]-3-(palmitoyloxy)propyl phosphate [ACD/IUPAC Name]
(2R)-2-[(9Z)-9-Hexadecenoyloxy]-3-(palmitoyloxy)propylphosphat [German] [ACD/IUPAC Name]
9-Hexadecenoic acid, (1R)-2-[(1-oxohexadecyl)oxy]-1-[(phosphonooxy)methyl]ethyl ester, ion(2-), (9Z)- [ACD/Index Name]
Phosphate de (2R)-2-[(9Z)-9-hexadecenoyloxy]-3-(palmitoyloxy)propyle [French] [ACD/IUPAC Name]
(2R)-2-[(9Z)-hexadec-9-enoyloxy]-3-(palmitoyloxy)propyl phosphate
(2R)-3-(hexadecanoyloxy)-2-[(9Z)-hexadec-9-enoyloxy]propyl phosphate
1-hexadecanoyl-2-(9Z-hexadecenoyl)-sn-glycero-3-phosphate(2-)
1-hexadecanoyl-2-[(9Z)-hexadec-9-enoyl]-sn-glycero-3-phosphate
1-hexadecanoyl-2-[(9Z)-hexadec-9-enoyl]-sn-glycero-3-phosphate(2-)
PA(16:0/16:1(9Z))
  • Miscellaneous

    • Chemical Class:

      A 1,2-diacyl-sn-glycerol 3-phosphate(2-) ion in which the acyl groups at C-1 and C-2 are hexadecanoyl and (9Z)-hexadec-9-enoyl respectively. ChEBI CHEBI:73998

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density:
Boiling Point: 706.6±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.9 mmHg at 25°C
Enthalpy of Vaporization: 112.6±6.0 kJ/mol
Flash Point: 381.1±35.7 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 35
#Rule of 5 Violations: 2
ACD/LogP: 13.15
ACD/LogD (pH 5.5): 8.37
ACD/BCF (pH 5.5): 210751.89
ACD/KOC (pH 5.5): 24845.40
ACD/LogD (pH 7.4): 7.44
ACD/BCF (pH 7.4): 24797.08
ACD/KOC (pH 7.4): 2923.31
Polar Surface Area: 135 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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